Endlich M, Gozdzik S, Néel N, da Rosa A L, Frauenheim T, Wehling T O, Kröger J
Institut für Physik, Technische Universität Ilmenau, D-98693 Ilmenau, Germany.
Bremen Center for Computational Materials Science, University Bremen, D-28359 Bremen, Germany.
J Chem Phys. 2014 Nov 14;141(18):184308. doi: 10.1063/1.4901283.
Phthalocyanine molecules have been adsorbed to Ir(111) and to graphene on Ir(111). From a comparison of scanning tunneling microscopy images of individual molecules adsorbed to the different surfaces alone it is difficult to discern potential differences in the molecular adsorption geometry. In contrast, vibrational spectroscopy using inelastic electron scattering unequivocally hints at strong molecule deformations on Ir(111) and at a planar adsorption geometry on graphene. The spectroscopic evidence for the different adsorption configurations is supported by density functional calculations.
